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MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
05 Sep 2007 | | Contributor(s):: Jeffrey B. Neaton
Most recent theoretical studies of electron transport in single-molecule junctions rely on a Landauer approach, simplified to treat electron-electron interactions at a mean-field level within density functional theory (DFT). While this framework has proven relatively accurate for certain systems,...
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MCW07 Modeling Charging-based Switching in Molecular Transport Junctions
23 Aug 2007 | | Contributor(s):: Sina Yeganeh, Misha Galperin, Mark Ratner
We will discuss several proposed explanations for the switching and negative differential resistance behavior seen in some molecular junctions. It is shown that a proposed polaron model is successful in predicting both hysteresis and NDR behavior, and the model is elaborated with image charge...
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Amine Linked Single Molecule Circuits: Systematic Measurements & Understanding
02 Jul 2007 | | Contributor(s):: Mark S Hybertsen
Formation and function of well-defined linkages between organic molecules and metallic electrodes has been a key issue in the field of molecular electronics. We recently discovered that the conductance of single molecule junctions formed using gold-amine linkages can be measured reliably and...
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Orbital Mediated Tunneling in a New Unimolecular Rectifier
25 May 2007 | | Contributor(s):: Robert Metzger, NCN at Northwestern University
In 1997 we showed that hexadecylquinolinium tricyanoquinodimethanide is a unimolecular rectifier, by scanning tunneling microscopy and also as a Langmuir-Blodgett (LB) monolayer, sandwiched between Al electrodes. We have now seen rectification in a new molecule: this rectification can be followed...
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BNC Annual Research Symposium: Nanoelectronics and Semiconductor Devices
23 Apr 2007 | | Contributor(s):: David Janes
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.
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Electronics at Nano scale
06 Apr 2007 | | Contributor(s):: Rakesh Kumar gupta
Current research on nanoelectronics is extremely diverse. Exiting technology of optical lithography used for the fabrication of electronics components,devices and systms already reached to their extreme limits. The devises with minimum feature dimensions less than 50nm and below this are almost...
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CMOS-Nano Hybrid Technology: a nanoFPGA-related study
04 Apr 2007 | | Contributor(s):: Wei Wang
Dr. Wei Wang received his PhD degree in 2002 from Concordia University, Montreal, QC, Canada, in Electrical and Computer Engineering. From 2002 to 2004, he was an assistant professor in the Department of Electrical and Computer Engineering, the University of Western Ontario, London, ON, Canada....
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ECE 453 Lecture 15c: Basis Functions 3
04 Oct 2004 | | Contributor(s):: Supriyo Datta
This lecture is available only in video format.
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ECE 453 Lecture 15b: Basis Functions 2
01 Oct 2004 | | Contributor(s):: Supriyo Datta
This lecture is available only in video format.
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Surprises on the nanoscale: Plasmonic waves that travel backward and spin birefringence without magnetic fields
08 Jan 2007 | | Contributor(s):: Daniel Neuhauser
As nanonphotonics and nanoelectronics are pushed down towards the molecular scale, interesting effects emerge. We discuss how birefringence (different propagation of two polarizations) is manifested and could be useful in the future for two systems: coherent plasmonic transport of near-field...
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Nanoscale Thermodynamics
13 Dec 2006 | | Contributor(s):: John Enriquez
This is the fifth contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006. This introduces nanothermodynamics, the study of small system equilibrium. Nanothermodynamics was established in the early 60’s, but has recently...
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Computational Chemistry: An Introduction to Molecular Dynamic Simulations
08 Dec 2006 | | Contributor(s):: Shalayna Lair
This module gives a brief overview of computational chemistry, a branch of chemistry concerned with theoretically determining properties of molecules. The fundamentals of how to conduct a computational project are discussed as well as the variety of different models that can be used. Because of...
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Spectroscopic Ellipsometry
12 Dec 2006 | | Contributor(s):: Lynn Marie Santiago
This is the fourth contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006.This presentation is presented at the undergraduate level and introduces spectroscopic ellipsometry, which is one of the most important characterization...
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Electrical Resistance: an Atomistic View
26 Oct 2006 | | Contributor(s):: Supriyo Datta
This tutorial article presents a “bottom-up” view of electrical resistance starting from something really small, like a molecule, and then discussing the issues that arise as we move to bigger conductors. Remark ably enough, no serious quantum mechanics is needed to understand electrical...
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Molecular Workbench: An Interface to the Molecular World
25 Jun 2006 | | Contributor(s):: Charles Xie
The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation engines that compute and visualize the motion of particles interacting through force fields, in both 2D and...
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Chemical Modification of GaAs with TAT Peptide and Alkylthiol Self-Assembled Monolayers
03 Aug 2006 | | Contributor(s):: Hamsa Jaganathan
The use of self-assembled monolayers (SAM) on semiconductors creates a basis for the design and creation of bioelectronics, such as biosensors. The interface between the surface and an organic monolayer can change significant electrical and physiochemical properties of a biological device....
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DNA Nanowires
06 Aug 2006 | | Contributor(s):: Margarita Shalaev
DNA is a relatively inexpensive and ubiquitous material that can be used as a scaffold for constructing nanowires. Our research focuses on the manufacturing of DNA-templated, magnetic nanowires. This is accomplished by synthesizing positively-charged metal nanoparticles that self-assemble along...
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Surface Analysis of Organic Monlayers Using FTIR and XPS
02 Aug 2006 | | Contributor(s):: Jamie Nipple, Michael Toole, David Janes
Current research concerning self-assembled monolayers (SAM) focuses on the fabrication of microelectronics utilizing a semiconductor/molecule/metal junction. This study seeks to investigate various experimental techniques for creation of organic monolayers by surface analysis techniques including...
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A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
08 Aug 2006 | | Contributor(s):: Amritanshu Palaria
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not...
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Quantum Transport: Atom to Transistor (Spring 2004)
23 May 2006 | | Contributor(s):: Supriyo Datta
Spring 2004 Please Note: A newer version of this course is now available and we would greatly appreciate your feedback regarding the new format and contents. Course Information Website The development of "nanotechnology" has made it possible to engineer materials and devices...